6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carbaldehyde;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine

C56H50N10OS2 — CID 159907913

IUPAC6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carbaldehyde;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
SMILESCc1ccc(-c2cnc(-c3cccc(C=O)n3)s2)cc1.Cc1ccc(-c2cnc(-c3cccc(CN(Cc4ccccn4)Cc4ccccn4)n3)s2)cc1.c1ccc(CNCc2ccccn2)nc1
InChIInChI=1S/C28H25N5S.C16H12N2OS.C12H13N3/c1-21-11-13-22(14-12-21)27-17-31-28(34-27)26-10-6-9-25(32-26)20-33(18-23-7-2-4-15-29-23)19-24-8-3-5-16-30-24;1-11-5-7-12(8-6-11)15-9-17-16(20-15)14-4-2-3-13(10-19)18-14;1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12/h2-17H,18-20H2,1H3;2-10H,1H3;1-8,13H,9-10H2
InChIKeyNWUQJSPQRDORBK-UHFFFAOYSA-N
MW943.22 g/mol
LogP11.93
Rot. Bonds15

About 6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carbaldehyde;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine

6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carbaldehyde;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 159907913) has the molecular formula C56H50N10OS2 and a molecular weight of 943.22 g/mol. Its IUPAC name is 6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carbaldehyde;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carbaldehyde;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
PubChem CID159907913
Molecular FormulaC56H50N10OS2
Molecular Weight943.22 g/mol
Exact Mass942.36
IUPAC Name6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carbaldehyde;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
SMILESCc1ccc(-c2cnc(-c3cccc(C=O)n3)s2)cc1.Cc1ccc(-c2cnc(-c3cccc(CN(Cc4ccccn4)Cc4ccccn4)n3)s2)cc1.c1ccc(CNCc2ccccn2)nc1
InChIInChI=1S/C28H25N5S.C16H12N2OS.C12H13N3/c1-21-11-13-22(14-12-21)27-17-31-28(34-27)26-10-6-9-25(32-26)20-33(18-23-7-2-4-15-29-23)19-24-8-3-5-16-30-24;1-11-5-7-12(8-6-11)15-9-17-16(20-15)14-4-2-3-13(10-19)18-14;1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12/h2-17H,18-20H2,1H3;2-10H,1H3;1-8,13H,9-10H2
InChIKeyNWUQJSPQRDORBK-UHFFFAOYSA-N
XLogP11.93
TPSA135.46 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500943.22
LogP ≤ 511.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carbaldehyde;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carbaldehyde;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carbaldehyde;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (CID 159907913) is 6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carbaldehyde;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carbaldehyde;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carbaldehyde;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is Cc1ccc(-c2cnc(-c3cccc(C=O)n3)s2)cc1.Cc1ccc(-c2cnc(-c3cccc(CN(Cc4ccccn4)Cc4ccccn4)n3)s2)cc1.c1ccc(CNCc2ccccn2)nc1.
What is the InChIKey of 6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carbaldehyde;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is NWUQJSPQRDORBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5S.C16H12N2OS.C12H13N3/c1-21-11-13-22(14-12-21)27-17-31-28(34-27)26-10-6-9-25(32-26)20-33(18-23-7-2-4-15-29-23)19-24-8-3-5-16-30-24;1-11-5-7-12(8-6-11)15-9-17-16(20-15)14-4-2-3-13(10-19)18-14;1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12/h2-17H,18-20H2,1H3;2-10H,1H3;1-8,13H,9-10H2.
What are the key properties of 6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carbaldehyde;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carbaldehyde;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 943.22 g/mol, XLogP of 11.93, 15 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carbaldehyde;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 159907913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).